7-chloro-4-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-chloro-4-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine
7-chloro-4-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0109 |
| Compound Name: | 7-chloro-4-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 449.94 |
| Molecular Formula: | C25 H24 Cl N3 O3 |
| Smiles: | CCOc1ccc(cc1OCC)C1N=C(c2ccc(cc2)OC)Nc2ccc(cc2N=1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2126 |
| logD: | 5.2106 |
| logSw: | -5.8412 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.439 |
| InChI Key: | ZJSWIOVCNWWIOP-UHFFFAOYSA-N |